(1S,4E,8E,12Z)-14-[[O-6-Deoxy-3-O-[(2E,4R,6E,10E,14S)-14-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-4-hydroxy-2,6,10,14-tetramethyl-1-oxo-2,6,10,15-hexadecatetraen-1-yl]-α-L-mannopyranosyl-(1→4)-O-[6-deoxy-α-L-mannopyranosyl-(1→6)]-β-D-glucopyranosyl]oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrien-1-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

CAS Registry Number®

121924-08-1

CAS Name

(1S,4E,8E,12Z)-14-[[O-6-Deoxy-3-O-[(2E,4R,6E,10E,14S)-14-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-4-hydroxy-2,6,10,14-tetramethyl-1-oxo-2,6,10,15-hexadecatetraen-1-yl]-α-L-mannopyranosyl-(1→4)-O-[6-deoxy-α-L-mannopyranosyl-(1→6)]-β-D-glucopyranosyl]oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrien-1-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

Molecular Formula

C82H134O38

Molecular Mass

1727.92

Cite this Page

(1S,4E,8E,12Z)-14-[[O-6-Deoxy-3-O-[(2E,4R,6E,10E,14S)-14-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-4-hydroxy-2,6,10,14-tetramethyl-1-oxo-2,6,10,15-hexadecatetraen-1-yl]-α-L-mannopyranosyl-(1→4)-O-[6-deoxy-α-L-mannopyranosyl-(1→6)]-β-D-glucopyranosyl]oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrien-1-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=121924-08-1 (retrieved 2024-11-26) (CAS RN: 121924-08-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C82H134O38/c1-13-81(11,119-79-71(61(97)56(92)49(34-85)112-79)117-76-65(101)59(95)54(90)47(32-83)110-76)28-18-26-39(4)21-15-20-38(3)23-17-25-42(7)36-106-75-67(103)63(99)69(51(114-75)37-107-74-64(100)58(94)52(88)44(9)108-74)116-78-68(104)70(53(89)45(10)109-78)115-73(105)43(8)31-46(87)30-41(6)24-16-22-40(5)27-19-29-82(12,14-2)120-80-72(62(98)57(93)50(35-86)113-80)118-77-66(102)60(96)55(91)48(33-84)111-77/h13-14,20,24-27,31,44-72,74-80,83-104H,1-2,15-19,21-23,28-30,32-37H2,3-12H3/b38-20+,39-26+,40-27+,41-24+,42-25-,43-31+/t44-,45-,46?,47+,48+,49+,50+,51+,52-,53-,54+,55+,56+,57+,58+,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,74+,75+,76-,77-,78-,79-,80-,81+,82+/m0/s1

InChIKey

InChIKey=AYVUMORLNURNRO-VZIMFOECSA-N

SMILES

O([C@@](CC/C=C(/CC/C=C(/CC(/C=C(/C(O[C@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](CO[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)O[C@@H](OC/C(=C\CC/C(=C/CC/C(=C/CC[C@](O[C@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](CO)O4)(C=C)C)/C)/C)/C)[C@H](O)[C@H]2O)O[C@@H](C)[C@@H]1O)=O)\C)O)\C)\C)(C=C)C)[C@H]6[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@@H](CO)O6

Canonical SMILES

O=C(OC1C(O)C(OC(C)C1O)OC2C(O)C(O)C(OCC(=CCCC(=CCCC(=CCCC(OC3OC(CO)C(O)C(O)C3OC4OC(CO)C(O)C(O)C4O)(C=C)C)C)C)C)OC2COC5OC(C)C(O)C(O)C5O)C(=CC(O)CC(=CCCC(=CCCC(OC6OC(CO)C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)(C=C)C)C)C)C

Other Names for this Substance

  • β-D-Glucopyranoside, (1S,4E,8E,12Z)-14-[[O-6-deoxy-3-O-[(2E,4R,6E,10E,14S)-14-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-4-hydroxy-2,6,10,14-tetramethyl-1-oxo-2,6,10,15-hexadecatetraen-1-yl]-α-L-mannopyranosyl-(1→4)-O-[6-deoxy-α-L-mannopyranosyl-(1→6)]-β-D-glucopyranosyl]oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrien-1-yl 2-O-β-D-glucopyranosyl-
  • β-D-Glucopyranoside, (1S,4E,8E,12Z)-14-[[O-6-deoxy-3-O-[(2E,4R,6E,10E,14S)-14-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-4-hydroxy-2,6,10,14-tetramethyl-1-oxo-2,6,10,15-hexadecatetraenyl]-α-L-mannopyranosyl-(1→4)-O-[6-deoxy-α-L-mannopyranosyl-(1→6)]-β-D-glucopyranosyl]oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrienyl 2-O-β-D-glucopyranosyl-
  • (1S,4E,8E,12Z)-14-[[O-6-Deoxy-3-O-[(2E,4R,6E,10E,14S)-14-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-4-hydroxy-2,6,10,14-tetramethyl-1-oxo-2,6,10,15-hexadecatetraen-1-yl]-α-L-mannopyranosyl-(1→4)-O-[6-deoxy-α-L-mannopyranosyl-(1→6)]-β-D-glucopyranosyl]oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrien-1-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • Capsianside D
  • Capsianoside D

CAS INSIGHTSTM
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